7-Hydroxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine - CAS 2503-56-2
Catalog: |
BB018716 |
Product Name: |
7-Hydroxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine |
CAS: |
2503-56-2 |
Synonyms: |
5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one; 5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one |
IUPAC Name: | 5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one |
Description: | 7-Hydroxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CAS# 2503-56-2) is used as a reactant in the preparation of triazolopyrimidine-based dihydroorotate dehydrogenase inhibitors with potent and selective activity against malaria parasite plasmodium falciparum. |
Molecular Weight: | 150.14 |
Molecular Formula: | C6H6N4O |
Canonical SMILES: | CC1=CC(=O)N2C(=N1)N=CN2 |
InChI: | InChI=1S/C6H6N4O/c1-4-2-5(11)10-6(9-4)7-3-8-10/h2-3H,1H3,(H,7,8,9) |
InChI Key: | INVVMIXYILXINW-UHFFFAOYSA-N |
Density: | 1.424 g/cm3 |
MDL: | MFCD00005555 |
LogP: | 0.13830 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110679602-A | Application of alkaloid esramycin and derivatives thereof in resisting plant viruses | 20191101 |
CN-110679602-B | Application of alkaloid esramycin and derivatives thereof in resisting plant viruses | 20191101 |
EP-3733792-A1 | A method of manufacturing a conductive pattern | 20190430 |
EP-3725853-A1 | A method of manufacturing a conductive pattern | 20190419 |
JP-2020157678-A | Thermal recording material | 20190327 |
PMID | Publication Date | Title | Journal |
21536486 | 20110801 | Platinum(IV) coordination compounds containing 5-methyl-1,2,4-triazolo[1,5-a]pyrimidin-7(4H)-one as nonleaving ligand. Molecular and cytotoxicity in vitro characterization | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
21497152 | 20110601 | In vitro and in vivo antiparasital activity against Trypanosoma cruzi of three novel 5-methyl-1,2,4-triazolo[1,5-a]pyrimidin-7(4H)-one-based complexes | Journal of inorganic biochemistry |
21479329 | 20110521 | Structural and magnetic properties of three novel complexes with the versatile ligand 5-methyl-1,2,4-triazolo[1,5-a]pyrimidin-7(4H)-one | Dalton transactions (Cambridge, England : 2003) |
21393181 | 20110401 | Biological activity of three novel complexes with the ligand 5-methyl-1,2,4-triazolo[1,5-a]pyrimidin-7(4H)-one against Leishmania spp | The Journal of antimicrobial chemotherapy |
21579873 | 20100127 | 4,7-Phenanthrolinium perchlorate-5-methyl-1,2,4-triazolo[1,5-a]pyrimidin-7(4H)-one-water (1/1/2) | Acta crystallographica. Section E, Structure reports online |
Complexity: | 302 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 150.05416083 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 150.05416083 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 57.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
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